SCHEMBL16404704

SCHEMBL16404704

CNc1cccc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)ccc2C)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY11 Q96G91 9/20 0.86
RECQL P46063 5/20 0.86
KMT2A Q03164 5/20 0.86
HSD17B10 Q99714 5/20 0.86
TDP1 Q9NUW8 5/20 0.86
HPSE Q9Y251 5/20 0.86
TIMP3 P35625 4/20 0.86
MAPT P10636 4/20 0.86
PKM P14618 4/20 0.86
P2RX1 P51575 4/20 0.86
P2RX3 P56373 4/20 0.86
MEN1 O00255 3/20 0.86
USP2 O75604 2/20 0.86
BRCA1 P38398 2/20 0.86
SIRT2 Q8IXJ6 2/20 0.86
SIRT1 Q96EB6 2/20 0.86
ENPP3 O14638 1/20 0.86
ENTPD3 O75355 1/20 0.86
NR1I2 O75469 1/20 0.86
PRKD3 O94806 1/20 0.86

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Suramin SCHEMBL29357785 0.93 P2RY11 (1.00) P2RY11RECQLKMT2AHSD17B10TDP1
Suramin SCHEMBL30552218 0.93 P2RY11 (1.00) P2RY11RECQLKMT2AHSD17B10TDP1
Suramin SCHEMBL29371906 0.93 P2RY11 (1.00) P2RY11RECQLKMT2AHSD17B10TDP1
Suramin SCHEMBL3161 0.93 P2RY11 (1.00) P2RY11RECQLKMT2AHSD17B10TDP1
Suramin SCHEMBL30312075 0.93 P2RY11 (1.00) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL30930073 0.90 P2RY11 (0.85) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL21686991 0.90 P2RY11 (0.95) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL375471 0.89 P2RY11 (0.80) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL11477425 0.89 P2RY11 (0.79) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL16404701 0.88 P2RY11 (0.76) P2RY11RECQLKMT2AHSD17B10TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249854-B1 TREATMENT OF IMMUNOCOMPROMISED CONDITIONS WITH E-SELECTIN ANTAGONIST AND G-CSF MATER MEDICAL RES INST (AU) 2015-01-21 EP disclosed